For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
2-[(3-chlorophenyl)carbamoylamino]-3,3,3-trifluoro-2-(1H-indol-3-yl)propionic acid methyl ester
SpectraBase Compound ID 4uDPBJENjv3
InChI InChI=1S/C19H15ClF3N3O3/c1-29-16(27)18(19(21,22)23,14-10-24-15-8-3-2-7-13(14)15)26-17(28)25-12-6-4-5-11(20)9-12/h2-10,24H,1H3,(H2,25,26,28)
InChIKey WIMFIMPMIYATHK-UHFFFAOYSA-N
Mol Weight 425.8 g/mol
Molecular Formula C19H15ClF3N3O3
Exact Mass 425.075404 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 4U6YKdZ8pk
Name 2-[(3-chlorophenyl)carbamoylamino]-3,3,3-trifluoro-2-(1H-indol-3-yl)propionic acid methyl ester
Alternate Name(s) 2-[[(3-chloroanilino)-oxomethyl]amino]-3,3,3-trifluoro-2-(1H-indol-3-yl)propanoic acid methyl ester Methyl 2-[(3-chlorophenyl)carbamoylamino]-3,3,3-trifluoro-2-(1H-indol-3-yl)propanoate Methyl 2-[(3-chlorophenyl)carbamoylamino]-3,3,3-tris(fluoranyl)-2-(1H-indol-3-yl)propanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H15ClF3N3O3
InChI InChI=1S/C19H15ClF3N3O3/c1-29-16(27)18(19(21,22)23,14-10-24-15-8-3-2-7-13(14)15)26-17(28)25-12-6-4-5-11(20)9-12/h2-10,24H,1H3,(H2,25,26,28)
InChIKey WIMFIMPMIYATHK-UHFFFAOYSA-N
Molecular Weight 425.795 g/mol
SMILES [nH]1c2c(c(C(C(F)(F)F)(NC(Nc3cc(Cl)ccc3)=O)C(=O)OC)c1)cccc2
SPLASH splash10-01r6-4953000000-cc4eb3de0bc63b9d9a87
Wiley ID 1444537